Molecular recognition is the basis for almost all other processes in supramolecular chemistry, for example template effects, that organize the components in a suitable manner to obtain a certain geometrical arrangement, or self-assembly and self-sorting, with which the complexes of interest can be programmed.
The Schalley group has examined receptors for neutral molecules such as caffeine, investigated the binding interactions in amide pseudorotaxanes in detail with respect to substituent effects, and studied anion binding by weak forces such as anion-pi interactions and C-H...anion interactions.
Resorcinarene cavitand binding hexafluorophosphate through C-H...anion interactions
Experimental evidence for the functional relevance of anion-pi interactions
R.E. Dawson, A. Hennig, D.P. Weimann, D. Emery, V. Ravikumar, J. Montenegro, T. Takeuchi, S. Gabutti, M. Mayor, J. Mareda, C.A. Schalley, S. Matile
Nature Chem. 2010, 2, 533-538
Anion Binding to Resorcinarene-Based Cavitands: The Importance of C-H...Anion Interactions
S.S. Zhu, H. Staats, K. Brandhorst, J. Grunenberg, F. Gruppi, E. Dalcanale, A. Lützen, K. Rissanen, C.A. Schalley
Angew. Chem. 2008, 120, 800-804; Angew. Chem. Int. Ed. 2008, 47, 788-792
Substituent Effects on Axle Binding in Amide Pseudorotaxanes: Comparison of NMR Titration and ITC Data with DFT Calculations
L. Kaufmann, E.V. Dzyuba, F. Malberg, N.L. Löw, M. Groschke, B. Brusilowskij, J. Huuskonen, K. Rissanen, B. Kirchner, C.A. Schalley
Org. Biomol. Chem. 2012, 10, 5954-5964